4-(3-methylbutoxy)benzenesulfonyl fluoride

C11H15FO3S — CID 165461294

IUPAC4-(3-methylbutoxy)benzenesulfonyl fluoride
SMILESCC(C)CCOc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C11H15FO3S/c1-9(2)7-8-15-10-3-5-11(6-4-10)16(12,13)14/h3-6,9H,7-8H2,1-2H3
InChIKeyONZBRZWYXFUGSH-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.77
Rot. Bonds5

About 4-(3-methylbutoxy)benzenesulfonyl fluoride

4-(3-methylbutoxy)benzenesulfonyl fluoride (PubChem CID 165461294) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-(3-methylbutoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(3-methylbutoxy)benzenesulfonyl fluoride
PubChem CID165461294
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name4-(3-methylbutoxy)benzenesulfonyl fluoride
SMILESCC(C)CCOc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C11H15FO3S/c1-9(2)7-8-15-10-3-5-11(6-4-10)16(12,13)14/h3-6,9H,7-8H2,1-2H3
InChIKeyONZBRZWYXFUGSH-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
2-[4-(3-methylbutoxy)phenyl]sulfonylethyl acetate
CID 151914028
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
[4-(3-methylbutoxy)phenyl] formate
CID 54338269
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
2-(4-fluorophenyl)sulfonyl-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile
CID 3922167
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)benzenesulfonyl fluoride?
The IUPAC name of 4-(3-methylbutoxy)benzenesulfonyl fluoride (CID 165461294) is 4-(3-methylbutoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(3-methylbutoxy)benzenesulfonyl fluoride?
The canonical SMILES for 4-(3-methylbutoxy)benzenesulfonyl fluoride is CC(C)CCOc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(3-methylbutoxy)benzenesulfonyl fluoride?
The InChIKey is ONZBRZWYXFUGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-9(2)7-8-15-10-3-5-11(6-4-10)16(12,13)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(3-methylbutoxy)benzenesulfonyl fluoride?
4-(3-methylbutoxy)benzenesulfonyl fluoride has a molecular weight of 246.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 165461294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).